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Volume 66 
Part 8 
Page m945  
August 2010  

Received 5 July 2010
Accepted 10 July 2010
Online 17 July 2010

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.005 Å
R = 0.023
wR = 0.056
Data-to-parameter ratio = 10.5
Details
Open access

Poly[aquahemi([mu]4-oxalato)[[mu]3-5-(pyrazin-2-yl)tetrazolato]cadmium(II)]

aSchool of Chemistry and Environment, South China Normal University, Guangzhou 510006, People's Republic of China, and bSchool of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510640, People's Republic of China
Correspondence e-mail: zhangchen723@yahoo.com.cn

In the title polymeric complex, [Cd(C5H3N6)(C2O4)0.5(H2O)]n, the CdII ion is coordinated by four O atoms and three N atoms from two 5-(pyrazin-2-yl)tetrazolate ligands, two oxalate ligands and one water molecule, displaying a distorted monocapped octahedral geometry. The bridging ligands link metal centres, forming a three-dimensional network which is stabilized by intermolecular O-H...N hydrogen-bonding interactions.

Related literature

For related structures, see: Deng et al. (2007[Deng, H., Qiu, Y.-C., Zeng, R.-H. & Sun, F. (2007). Acta Cryst. E63, m450-m451.]); Zeng et al. (2007[Zeng, R.-H., Qiu, Y.-C., Liu, Z.-H., Li, Y.-H. & Deng, H. (2007). Acta Cryst. E63, m1591.]). For graph-set notation, see: Bernstein et al. (1995[Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl. 34, 1555-1573.]).

[Scheme 1]

Experimental

Crystal data
  • [Cd(C5H3N6)(C2O4)0.5(H2O)]

  • Mr = 321.56

  • Monoclinic, P 21 /n

  • a = 5.8801 (1) Å

  • b = 13.1286 (2) Å

  • c = 11.5647 (2) Å

  • [beta] = 94.867 (1)°

  • V = 889.55 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 2.46 mm-1

  • T = 296 K

  • 0.24 × 0.22 × 0.19 mm

Data collection
  • Bruker APEXII area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2008a[Sheldrick, G. M. (2008a). SADABS. University of Göttingen, Germany.]) Tmin = 0.590, Tmax = 0.652

  • 7467 measured reflections

  • 1588 independent reflections

  • 1566 reflections with I > 2[sigma](I)

  • Rint = 0.031

Refinement
  • R[F2 > 2[sigma](F2)] = 0.023

  • wR(F2) = 0.056

  • S = 1.19

  • 1588 reflections

  • 151 parameters

  • 3 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.33 e Å-3

  • [Delta][rho]min = -0.77 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H2W...N4i 0.82 (3) 2.08 (3) 2.897 (4) 174 (4)
O1W-H1W...N3ii 0.82 (3) 1.93 (3) 2.757 (4) 179 (5)
Symmetry codes: (i) [-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]; (ii) [x-{\script{1\over 2}}, -y+{\script{3\over 2}}, z-{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2004[Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2004[Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008b[Sheldrick, G. M. (2008b). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008b[Sheldrick, G. M. (2008b). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008b[Sheldrick, G. M. (2008b). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: RZ2474 ).


Acknowledgements

The author acknowledges South China Normal University for supporting this work.

References

Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl. 34, 1555-1573.  [CrossRef] [ChemPort] [ISI]
Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Deng, H., Qiu, Y.-C., Zeng, R.-H. & Sun, F. (2007). Acta Cryst. E63, m450-m451.  [CrossRef] [details]
Sheldrick, G. M. (2008a). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008b). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Zeng, R.-H., Qiu, Y.-C., Liu, Z.-H., Li, Y.-H. & Deng, H. (2007). Acta Cryst. E63, m1591.  [CSD] [CrossRef] [details]


Acta Cryst (2010). E66, m945  [ doi:10.1107/S1600536810027406 ]

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